2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H25N3O3S/c1-13-20-21-19(22(13)14-7-5-4-6-8-14)26-12-17(23)16-11-15(24-2)9-10-18(16)25-3/h9-11,14H,4-8,12H2,1-3H3